Abstract
C2F42+ is accessible by charge stripping from C2F4.+ with Qmin. = 19.0 eV for C2F4.+ → C2F4 2+ which is in good agreement with the vertical ionization energy of 19.33 eV predicted by ab initio molecular orbital calculations (4-31G//4-31G); according to these calculations the planar (D2h) form of C 2F42+ corresponds to the global minimum, being 3.5 kcal mol-1 (14.6 kJ mol-1) more stable than its perpendicular (D2d) isomer in distinct contrast to the analogous ethylene dication species for which the perpendicular form represents the global minimum on the C2H42+ potential energy surface.
Original language | English |
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Pages (from-to) | 1187-1188 |
Number of pages | 2 |
Journal | Chemical Communications |
Issue number | 17 |
DOIs | |
State | Published - 1984 |
Externally published | Yes |